3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione

C17H32N2O2 — CID 64902911

IUPAC3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC(C)C)N(CCC(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-13(6)15-17(21)19(9-8-11(2)3)14(10-12(4)5)16(20)18-15/h11-15H,7-10H2,1-6H3,(H,18,20)
InChIKeyZISRPHPEGUITBX-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.82
Rot. Bonds7

About 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione

3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64902911) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64902911
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC(C)C)N(CCC(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-13(6)15-17(21)19(9-8-11(2)3)14(10-12(4)5)16(20)18-15/h11-15H,7-10H2,1-6H3,(H,18,20)
InChIKeyZISRPHPEGUITBX-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
5-butan-2-yl-3-(3-methylbutyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83237061
1-(2-methoxyethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873401
6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64900962
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153
3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione
CID 64960213
3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
CID 64958605
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
CID 64902709
3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82926807
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione (CID 64902911) is 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(CC(C)C)N(CCC(C)C)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is ZISRPHPEGUITBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-13(6)15-17(21)19(9-8-11(2)3)14(10-12(4)5)16(20)18-15/h11-15H,7-10H2,1-6H3,(H,18,20).
What are the key properties of 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione?
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).